[gmx-users] degree of freedom

[Nicolas SAPAY]

<quote who="Mark Abraham">
> Nicolas SAPAY wrote:
>> Actually, I had a doubt on what happens when movements of the center of
>> mass are removed and when the position of a molecule is constraint...
>> Just
>> wanted to check my calculations...
>
> As a suggestion, if you say what your real problem is in your original
> question, you stand a much better chance of getting the answer you
> wanted, and a lower chance of irritating people who either think you're
> asking a trivial question or are wasting their time. The same goes for
> the CHARMM hydrogens thread :-)
>
> Removing the solute COM motion degrees sounds like 3 or 6, which won't
> be significant. Frozen molecules don't have any DOF, but
> position-restrained ones will have a few (but nothing like 3N-5).
>
> Mark
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>
>
>

Thanks for the advice!

I was too much focused on my problems and have forgotten that others don't
know what happens in my mind. I will take care of giving more explanations
next time.

Nicolas